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Home Other Building Blocks 4-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzohydrazide

4-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzohydrazide

CAS No.:
379254-35-0
Catalog Number:
AG019HJ8
Molecular Formula:
C15H14N4OS
Molecular Weight:
298.3629
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Product Description
Catalog Number:
AG019HJ8
Chemical Name:
4-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzohydrazide
CAS Number:
379254-35-0
Molecular Formula:
C15H14N4OS
Molecular Weight:
298.3629
MDL Number:
MFCD03147242
IUPAC Name:
4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
InChI:
InChI=1S/C15H14N4OS/c16-19-14(20)11-7-5-10(6-8-11)9-21-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9,16H2,(H,17,18)(H,19,20)
InChI Key:
BFVLGUXANYIAGS-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.089g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.364g/mol
Monoisotopic Mass:
298.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties